methyl 4-(7-azanylheptanoylamino)-3-methyl-benzoate

Systemtic Name: methyl 4-(7-azanylheptanoylamino)-3-methyl-benzoate Openeye Name: methyl 4-(7-aminoheptanoylamino)-3-methyl-benzoate CAS Name: 4-[(7-amino-1-oxoheptyl)amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-(7-aminoheptanoylamino)-3-methylbenzoate Traditional Name: 4-(7-aminoheptanoylamino)-3-methyl-benzoic acid methyl ester Formula: C16H24N2O3 MolecularWeight: 292.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCCCCCN

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCCCCCN

InChI

InChI=1S/C16H24N2O3/c1-12-11-13(16(20)21-2)8-9-14(12)18-15(19)7-5-3-4-6-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,19)